UCSF

ZINC37009910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 4.32 -89.68 0 5 -2 88 329.683 6
Mid Mid (pH 6-8) 2.19 4.27 -45.14 1 5 -1 86 330.691 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )